+Open data
-Basic information
Entry | Database: PDB / ID: 7s3e | ||||||
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Title | Solution NMR structure of uperin 3.5 in SDS micelles | ||||||
Components | Uperin-3.5 | ||||||
Keywords | ANTIMICROBIAL PROTEIN / antimicrobial peptide | ||||||
Function / homology | Uperin / Uperin family / cytolysis in another organism / other organism cell membrane / defense response to Gram-positive bacterium / protein homodimerization activity / extracellular region / membrane / Uperin-3.5 Function and homology information | ||||||
Biological species | Uperoleia mjobergii (Mjoberg's toadlet) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Rosengren, K.J. / Armstrong, D.A. | ||||||
Funding support | 1items
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Citation | Journal: To be published Title: Structural insight into the mechanisms underlying the membrane activity of a family of antimicrobial Uperin 3 peptides Authors: Prasad, A.K. / Tiwari, C. / Ray, S. / Holden, S. / Armstrong, D.A. / Rosengren, K.J. / Rodger, A. / Martin, L.L. / Panwar, A.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7s3e.cif.gz | 112 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7s3e.ent.gz | 83.8 KB | Display | PDB format |
PDBx/mmJSON format | 7s3e.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/s3/7s3e ftp://data.pdbj.org/pub/pdb/validation_reports/s3/7s3e | HTTPS FTP |
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-Related structure data
Similar structure data | Similarity search - Function & homologyF&H Search |
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Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1782.181 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Uperoleia mjobergii (Mjoberg's toadlet) / References: UniProt: P82042 |
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Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 2 mg/mL uperin 3.5, 100 mM [U-100% 2H] SDS, 90% H2O/10% D2O Label: SDS micelle sample / Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0 mM / Label: conditions_1 / pH: 5.25 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 600 MHz / Details: equipped with cryoprobe |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 4 | ||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20 |